SCHEMBL21363376

SCHEMBL21363376

COCCNc1nc2ncn(C(C)(C)S)c(=O)c2n1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HIF1A Q16665 1/20 0.34
THRB P10828 1/20 0.33
SYK P43405 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21363536 0.91 TRPA1 (0.44) TRPA1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL25165800 0.82 TRPA1 (0.48) TRPA1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL22477724 0.80 TRPA1 (0.46) TRPA1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL21363370 0.76 TRPA1 (0.42) TRPA1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL21363642 0.74 CYP2D6 (0.51) SMN1; SMN2LMNAHTTRAB9ACYP2C19
SCHEMBL21363508 0.74 TRPA1 (0.39) TRPA1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL21393579 0.72 LMNA (0.44) TRPA1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL21363377 0.70 TRPA1 (0.36) TRPA1SMN1; SMN2LMNAKDM4E
SCHEMBL21363491 0.69 TRPA1 (0.44) TRPA1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL22477644 0.67 ADORA2A (0.39) TRPA1LMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885SMN1; SMN2 1161/4885LMNA 3183/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885SMN1; SMN2 1161/4885LMNA 3183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.